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Old   January 29, 2013, 21:38
Unhappy Question about mdFoam
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David
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Hi,
I`m reading the MD code of OpenFOAM. I saw it create 4 Lists(ril_, rwfil_, dil_ and dwfil_) to store the connecting information about cell-cell or cell-other processors` cell. dil_[d][f] stores the local adjacent cellIDs(cellID of f is bigger than cellID d) of cellID=d. ril_ stores the local cells which share the boundary faces with neighbour processors`. Also, I see that dwfil_ and rwfil_ store the cells of wall faces for real cells or referred cells, but I dont konw why? Who can help me? Thank you very much.
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Old   February 2, 2013, 01:27
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Erik Arlemark
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Hello,

I have used the previous mdFoam a bit in the past but not studied this issue. I think the reason for keeping this data could be to keep track of nearby molecules, which have a potential field affecting the current molecule, but being outside the current molecule´s cell. Only cells which are inside the R-cut are considered for this though, I assume. This way computational speed is gained.

Cheers,
Erik
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molecular dynamic, openfoam, particle, wall face

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